SCHEMBL4980994

SCHEMBL4980994

COc1ccc(C2=NNC3(S2)C(=O)Nc2ccc(Cl)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 19/20 1.00
MMP12 P39900 1/20 0.63
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
SLC27A2 O14975 1/20 0.54
MEN1 O00255 2/20 0.54
MAPK1 P28482 2/20 0.54
KMT2A Q03164 2/20 0.54
XBP1 P17861 1/20 0.54
MDM2 Q00987 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22571240 0.93 ADAMTS5 (0.87) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4981002 0.92 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL22571245 0.91 ADAMTS5 (0.84) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4980986 0.91 ADAMTS5 (0.84) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL22571239 0.89 ADAMTS5 (0.80) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4354284 0.87 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL24571445 0.87 ADAMTS5 (0.81) ADAMTS5ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4983286 0.86 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL24571121 0.86 ADAMTS5 (0.78) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2
SCHEMBL4352205 0.85 ADAMTS5 (1.00) ADAMTS5MMP12ALDH1A1LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 ADAMTS5 1/4885MMP12 26/4885ALDH1A1 388/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.